Copper-based chalcogenide nanomaterials have made tremendous progress for cancer theranostics due to their simple preparation, low cost, stable performance, and easy functionalization. But a systematic review and analysis about them does not exist. Therefore, we offer an account, mainly focusing on the design and functionalization of the copper-based chalcogenide nanomaterials for cancer theranostics, aiming to briefly demonstrate the design and concepts, summarize some of the past studies and analyze the development trends in the copper-based chalcogenide nanomaterials for clinical application.